CID 7016833

(3s)-3-{[(tert-butoxy)carbonyl]amino}-3-(6-methoxypyridin-3-yl)propanoic acid

Structural Information

Molecular Formula
C14H20N2O5
SMILES
CC(C)(C)OC(=O)N[C@@H](CC(=O)O)C1=CN=C(C=C1)OC
InChI
InChI=1S/C14H20N2O5/c1-14(2,3)21-13(19)16-10(7-12(17)18)9-5-6-11(20-4)15-8-9/h5-6,8,10H,7H2,1-4H3,(H,16,19)(H,17,18)/t10-/m0/s1
InChIKey
WAZLXMQVYNXDQH-JTQLQIEISA-N
Compound name
(3S)-3-(6-methoxy-3-pyridinyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.1372 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.144476 167.9
[M+Na]+ 319.126418 172.8
[M-H]- 295.129924 168.7
[M+NH4]+ 314.171023 180.8
[M+K]+ 335.100358 172.4
[M+H-H2O]+ 279.134460 160.7
[M+HCOO]- 341.135401 186.1
[M+CH3COO]- 355.151051 202.3
[M+Na-2H]- 317.111866 170.3
[M]+ 296.13665142 171.1
[M]- 296.13774858 171.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.